[DFTB-Plus-User] Running MD simulation using Nose Hoover Thermostat

Hanan Rizal Wicaksono hanan.rizal at gmail.com
Mon Jun 20 07:07:52 CEST 2022


Hello Everyone,

I've performed molecular dynamics simulations using berendsen thermostat
before, but the result isn't good. so i've plan to try using nose hoover
thermostat. the question are:

how can I run molecular dynamics simulations using nose hoover thermostat ?
is it possible the result will be different ?
what is the x, v, and g in the md.out file ? how can i use it ?
Waiting for your kind reply.

Best regards,
Hanan Rizal.
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